Vitas-M small molecule compound
5-amino-3-[(Z)-2-{4-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-1-cyanoethenyl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Catalog ID
STK757276
SMILES OCCn1nc(c(c1N)C#N)/C(=C/c1ccc(cc1)OCc1c(F)cccc1Cl)/C#N
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C22H17ClFN5O2 MW 437.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17ClFN5O2/c23-19-2-1-3-20(24)18(19)13-31-16-6-4-14(5-7-16)10-15(11-25)21-17(12-26)22(27)29(28-21)8-9-30/h1-7,10,30H,8-9,13,27H2/b15-10+InChIKey
IGOYNHSEMVUGRN-XNTDXEJSSA-NSynonyms
5amino3((Z)2(4((2chloro6fluorobenzyl)oxy)phenyl)1cyanoethenyl)1(2hydroxyethyl)1Hpyrazole4carbonitrile
5AMINO3((Z)2(4((2CHLORO6FLUOROPHENYL)METHOXY)PHENYL)1CYANOETHENYL)1(2HYDROXYETHYL)PYRAZOLE4CARBONITRILE
C1=CC(=C(C(=C1)Cl)COC2=CC=C(C=C2)C=C(C#N)C3=NN(C(=C3C#N)N)CCO)F
InChI=1SC22H17ClFN5O2c231921320(24)18(19)1331166414(5716)1015(1125)2117(1226)22(27)29(2821)8930h171030H891327H2b1510+
MFCD01160623
OCCn1nc(c(c1N)C#N)C(=Cc1ccc(cc1)OCc1c(F)cccc1Cl)C#N
ZINC000012428388
ZINC12428388
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